CID 15847293

80062-31-3

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CNC1=C(C=CC(=C1)OCC(CO)O)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O5/c1-11-9-4-8(17-6-7(14)5-13)2-3-10(9)12(15)16/h2-4,7,11,13-14H,5-6H2,1H3
InChIKey
CDRHDQOGKXFJSA-UHFFFAOYSA-N
Compound name
3-[3-(methylamino)-4-nitrophenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1438
Patents

242.09027 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 150.3
[M+Na]+ 265.07949 160.2
[M+NH4]+ 260.12409 156.0
[M+K]+ 281.05343 159.2
[M-H]- 241.08299 151.6
[M+Na-2H]- 263.06494 153.9
[M]+ 242.08972 151.6
[M]- 242.09082 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe